N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(4-ethylphenyl)propanamide

C23H32N2O — CID 55768894

IUPACN-[[3-(diethylaminomethyl)phenyl]methyl]-3-(4-ethylphenyl)propanamide
SMILESCCc1ccc(CCC(=O)NCc2cccc(CN(CC)CC)c2)cc1
InChIInChI=1S/C23H32N2O/c1-4-19-10-12-20(13-11-19)14-15-23(26)24-17-21-8-7-9-22(16-21)18-25(5-2)6-3/h7-13,16H,4-6,14-15,17-18H2,1-3H3,(H,24,26)
InChIKeyURZANFVGLRSTOD-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.34
Rot. Bonds10

About N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(4-ethylphenyl)propanamide

N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(4-ethylphenyl)propanamide (PubChem CID 55768894) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(4-ethylphenyl)propanamide.

Molecular Properties

Compound NameN-[[3-(diethylaminomethyl)phenyl]methyl]-3-(4-ethylphenyl)propanamide
PubChem CID55768894
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC NameN-[[3-(diethylaminomethyl)phenyl]methyl]-3-(4-ethylphenyl)propanamide
SMILESCCc1ccc(CCC(=O)NCc2cccc(CN(CC)CC)c2)cc1
InChIInChI=1S/C23H32N2O/c1-4-19-10-12-20(13-11-19)14-15-23(26)24-17-21-8-7-9-22(16-21)18-25(5-2)6-3/h7-13,16H,4-6,14-15,17-18H2,1-3H3,(H,24,26)
InChIKeyURZANFVGLRSTOD-UHFFFAOYSA-N
XLogP4.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703880
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
CID 55769274
N-[[3-(diethylaminomethyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56545187
3-[[3-(4-ethylphenyl)propanoylamino]methyl]-N-phenylbenzamide
CID 46466164
N-[3-[[3-(4-ethylphenyl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 46420384
N-[[3-(diethylaminomethyl)phenyl]methyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 55855300
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 55854264
N-[2-[[3-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78902086
3-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]propanamide
CID 113385133
N-[[3-(diethylaminomethyl)phenyl]methyl]ethanamine
CID 46785465
4-[[4-(diethylaminomethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 43580032
3-(4-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
CID 107210228

Frequently Asked Questions

What is the IUPAC name of N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(4-ethylphenyl)propanamide?
The IUPAC name of N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(4-ethylphenyl)propanamide (CID 55768894) is N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(4-ethylphenyl)propanamide.
What is the SMILES notation for N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(4-ethylphenyl)propanamide?
The canonical SMILES for N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(4-ethylphenyl)propanamide is CCc1ccc(CCC(=O)NCc2cccc(CN(CC)CC)c2)cc1.
What is the InChIKey of N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(4-ethylphenyl)propanamide?
The InChIKey is URZANFVGLRSTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c1-4-19-10-12-20(13-11-19)14-15-23(26)24-17-21-8-7-9-22(16-21)18-25(5-2)6-3/h7-13,16H,4-6,14-15,17-18H2,1-3H3,(H,24,26).
What are the key properties of N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(4-ethylphenyl)propanamide?
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(4-ethylphenyl)propanamide has a molecular weight of 352.52 g/mol, XLogP of 4.34, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(4-ethylphenyl)propanamide is sourced from PubChem (CID 55768894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).